Analyte Name

3,4-O-Isopropylidene Clindamycin B 2-[Bis(2,2,2-trichloroethyl)phosphate]

Molecular Formula

C24 H38 Cl7 N2 O8 P S

Molecular Weight

793.777

Accurate Mass

789.991

SMILES

CC[C@H]1CC(N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)C(OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C3OC(C)(C)O[C@@H]23

InChI

InChI=1S/C24H38Cl7N2O8PS/c1-7-13-8-14(33(5)9-13)20(34)32-15(12(2)25)16-17-18(40-22(3,4)39-17)19(21(38-16)43-6)41-42(35,36-10-23(26,27)28)37-11-24(29,30)31/h12-19,21H,7-11H2,1-6H3,(H,32,34)/t12-,13-,14?,15+,16+,17-,18?,19?,21+/m0/s1

IUPAC

[(3aS,4R,6R)-4-[(1S,2S)-2-chloro-1-[[(4S)-4-ethyl-1-methylpyrrolidine-2-carbonyl]amino]propyl]-2,2-dimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] bis(2,2,2-trichloroethyl) phosphate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat